N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine

C13H18N2S — CID 43372307

IUPACN-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine
SMILESCC(C)CC(C)Nc1nc2ccccc2s1
InChIInChI=1S/C13H18N2S/c1-9(2)8-10(3)14-13-15-11-6-4-5-7-12(11)16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyVKIYCUZVLXJBRT-UHFFFAOYSA-N
MW234.37 g/mol
LogP4.14
Rot. Bonds4

About N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine

N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 43372307) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine
PubChem CID43372307
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine
SMILESCC(C)CC(C)Nc1nc2ccccc2s1
InChIInChI=1S/C13H18N2S/c1-9(2)8-10(3)14-13-15-11-6-4-5-7-12(11)16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyVKIYCUZVLXJBRT-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1,3-benzothiazol-2-amine
CID 591708
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 54937957
2-(1,3-benzothiazol-2-ylamino)-3-methylbutan-1-ol
CID 79246244
methyl (2S)-2-(1,3-benzothiazol-2-ylamino)propanoate
CID 6991162
N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 103603190
N-[1-(4-bromophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 60658936
3-(1,3-benzothiazol-2-ylamino)-1-phenylbutan-2-ol
CID 133400238
(2R)-2-(1,3-benzothiazol-2-ylamino)-N-pentan-3-ylpropanamide
CID 8849998
(1R)-1-(1,3-benzothiazol-2-ylamino)-2,2,2-trichloroethanol
CID 779271
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 78961580
1-(1,3-benzothiazol-2-ylamino)oxypropan-2-ol
CID 167929863

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine (CID 43372307) is N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine is CC(C)CC(C)Nc1nc2ccccc2s1.
What is the InChIKey of N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is VKIYCUZVLXJBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-9(2)8-10(3)14-13-15-11-6-4-5-7-12(11)16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15).
What are the key properties of N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine?
N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 234.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentan-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43372307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).